96G Converted by convert_cif2sdf.py 2024/03/29 11:09:15 38 40 0 0 0 0 0 0 0 0999 V2000 5.5941 0.7709 -0.5574 C 0 0 0 0 0 0.5401 1.2462 -0.6630 C 0 0 0 0 0 6.6098 -1.2806 0.0635 C 0 0 0 0 0 2.7699 2.3653 -0.9366 C 0 0 0 0 0 6.5836 -3.6793 -0.4941 C 0 0 0 0 0 7.4231 -3.3152 0.4777 C 0 0 0 0 0 0.7645 2.2827 0.1685 C 0 0 0 0 0 1.9924 2.8927 0.0117 C 0 0 0 0 0 -0.6939 0.4330 -0.7007 C 0 0 0 0 0 -0.8121 -0.6161 -1.6139 C 0 0 0 0 0 -1.7398 0.7083 0.1808 C 0 0 0 0 0 -3.0060 -1.0923 -0.7707 C 0 0 0 0 0 -2.8896 -0.0523 0.1427 C 0 0 0 0 0 -1.9655 -1.3727 -1.6450 C 0 0 0 0 0 -5.1713 -1.4968 0.1228 C 0 0 0 0 0 7.4193 -2.0234 0.7517 N 0 0 0 0 0 5.4583 2.1032 -0.4117 N 0 0 0 0 0 6.4700 0.0950 0.2135 N 0 0 0 0 0 4.6193 2.5163 -2.6963 O 0 0 0 0 0 4.4504 4.2922 -0.9451 O 0 0 0 0 0 4.9232 0.1773 -1.3794 O 0 0 0 0 0 -4.1402 -1.8399 -0.8043 O 0 0 0 0 0 4.3832 2.9341 -1.3588 S 0 0 0 0 0 5.7439 -2.2365 -1.0578 S 0 0 0 0 0 1.9405 1.0158 -1.7027 S 0 0 0 0 0 6.3336 -5.4361 -1.1457 BR 0 0 0 0 0 8.0599 -4.0194 0.9934 H 0 0 0 0 0 0.0394 2.6112 0.8992 H 0 0 0 0 0 2.3018 3.7354 0.6129 H 0 0 0 0 0 -0.0034 -0.8347 -2.2940 H 0 0 0 0 0 -1.6501 1.5157 0.8916 H 0 0 0 0 0 -3.7002 0.1596 0.8240 H 0 0 0 0 0 -2.0592 -2.1816 -2.3547 H 0 0 0 0 0 -6.0186 -2.1706 -0.0104 H 0 0 0 0 0 -4.7904 -1.5891 1.1398 H 0 0 0 0 0 -5.4927 -0.4702 -0.0540 H 0 0 0 0 0 5.9907 2.5766 0.2467 H 0 0 0 0 0 7.0020 0.5675 0.8720 H 0 0 0 0 0 13 11 2 0 0 0 13 12 1 0 0 0 22 12 1 0 0 0 22 15 1 0 0 0 11 9 1 0 0 0 12 14 2 0 0 0 26 5 1 0 0 0 9 2 1 0 0 0 9 10 2 0 0 0 14 10 1 0 0 0 7 2 2 0 0 0 7 8 1 0 0 0 5 24 1 0 0 0 5 6 2 0 0 0 2 25 1 0 0 0 24 3 1 0 0 0 8 4 2 0 0 0 6 16 1 0 0 0 21 1 2 0 0 0 3 16 2 0 0 0 3 18 1 0 0 0 25 4 1 0 0 0 4 23 1 0 0 0 1 18 1 0 0 0 1 17 1 0 0 0 20 23 2 0 0 0 23 17 1 0 0 0 23 19 2 0 0 0 6 27 1 0 0 0 7 28 1 0 0 0 8 29 1 0 0 0 10 30 1 0 0 0 11 31 1 0 0 0 13 32 1 0 0 0 14 33 1 0 0 0 15 34 1 0 0 0 15 35 1 0 0 0 15 36 1 0 0 0 17 37 1 0 0 0 18 38 1 0 0 0 M END $$$$